3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide

C24H32N4O4S — CID 26736268

IUPAC3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC
InChIInChI=1S/C24H32N4O4S/c1-5-27(6-2)33(30,31)18-13-14-21-20(17-18)25-23(28(21)7-3)15-16-24(29)26-19-11-9-10-12-22(19)32-8-4/h9-14,17H,5-8,15-16H2,1-4H3,(H,26,29)
InChIKeyWPWGKHCEQQVQGH-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.06
Rot. Bonds11

About 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide

3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide (PubChem CID 26736268) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide
PubChem CID26736268
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC
InChIInChI=1S/C24H32N4O4S/c1-5-27(6-2)33(30,31)18-13-14-21-20(17-18)25-23(28(21)7-3)15-16-24(29)26-19-11-9-10-12-22(19)32-8-4/h9-14,17H,5-8,15-16H2,1-4H3,(H,26,29)
InChIKeyWPWGKHCEQQVQGH-UHFFFAOYSA-N
XLogP4.06
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
CID 26087233
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-fluorophenyl)propanamide
CID 26114901
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 43034386
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 53064222
N-(2-acetylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 30250318
methyl 2-[3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoylamino]thiophene-3-carboxylate
CID 55811912
N-(2-benzylphenyl)-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 4820473
N-cycloheptyl-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
CID 3899402
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(1H-indazol-5-yl)propanamide
CID 112808710
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 35613656
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 30279634
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-heptan-2-ylpropanamide
CID 42972539

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide (CID 26736268) is 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is WPWGKHCEQQVQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-5-27(6-2)33(30,31)18-13-14-21-20(17-18)25-23(28(21)7-3)15-16-24(29)26-19-11-9-10-12-22(19)32-8-4/h9-14,17H,5-8,15-16H2,1-4H3,(H,26,29).
What are the key properties of 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide?
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 472.61 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 26736268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).